[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine

C14H17F2N3O2 — CID 62892643

IUPAC[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine
SMILESCCOc1ccc(OCC)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C14H17F2N3O2/c1-3-20-10-5-6-11(21-4-2)13-12(10)8(19-17)7-9(18-13)14(15)16/h5-7,14H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMSUNTCLEBMGYSX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds6

About [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine

[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine (PubChem CID 62892643) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine
PubChem CID62892643
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine
SMILESCCOc1ccc(OCC)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C14H17F2N3O2/c1-3-20-10-5-6-11(21-4-2)13-12(10)8(19-17)7-9(18-13)14(15)16/h5-7,14H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMSUNTCLEBMGYSX-UHFFFAOYSA-N
XLogP3.26
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
CID 62892113
[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
CID 62890904
[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
CID 62891261
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
(5,8-diethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63555862
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 62890532
[2-(difluoromethyl)-4-ethoxyphenyl]hydrazine
CID 118809032
5,8-diethoxy-N-methyl-2-propylquinolin-4-amine
CID 63480709
4-ethoxy-3-hydrazinylphenol
CID 131054436
[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
CID 81288815
(2,5-diethoxyphenyl)hydrazine
CID 119006370
[2-(difluoromethyl)-5-ethoxyphenyl]hydrazine
CID 118848593

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine?
The IUPAC name of [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine (CID 62892643) is [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine.
What is the SMILES notation for [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine?
The canonical SMILES for [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine is CCOc1ccc(OCC)c2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine?
The InChIKey is MSUNTCLEBMGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-3-20-10-5-6-11(21-4-2)13-12(10)8(19-17)7-9(18-13)14(15)16/h5-7,14H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine?
[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine has a molecular weight of 297.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine is sourced from PubChem (CID 62892643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).